3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one

Systemtic Name: 3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Openeye Name: 3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one CAS Name: 3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-1-propanone IUPAC Name: 3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Traditional Name: 3-(1H-imidazol-5-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC3=CN=CN3

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC3=CN=CN3

InChI

InChI=1S/C16H19N3O2S/c1-21-14-3-4-15-12(8-14)10-19(6-7-22-15)16(20)5-2-13-9-17-11-18-13/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,17,18)